SCHEMBL4190183

SCHEMBL4190183

Cc1ccc(CCNC2=NC=CC(CC#N)N2c2nc3ccccc3s2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HPGD P15428 1/20 0.35
NPY1R P25929 10/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4192472 0.93 NPC1 (0.46) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4190281 0.91 ALDH1A1 (0.40) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4192264 0.91 LMNA (0.40) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL7704544 0.91 ILK (0.41) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4186370 0.91 RAB9A (0.42) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4191147 0.89 RAB9A (0.39) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4193844 0.88 ALDH1A1 (0.39) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4190241 0.87 CYP1A2 (0.37) MAPTALDH1A1LMNACYP1A2CYP3A4
SCHEMBL4187924 0.87 RAB9A (0.36) MAPTALDH1A1LMNACYP1A2CYP2D6
SCHEMBL4967621 0.87 NPC1 (0.44) MAPTALDH1A1LMNAPOLBGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP claimed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO claimed
EP-2026802-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES Laboratoires Serono SA (CH) 2009-02-25 EP disclosed
WO-2007141224-A2 JNK INHIBITORS FOR TREATMENT OF SKIN DISEASES LABORATOIRES SERONO SA (CH) 2007-12-13 WO disclosed
EP-1850846-A1 COMPOSITION COMPRISING A JNK INHIBITOR AND CYCLOSPORIN Laboratoires Serono SA (CH) 2007-11-07 EP disclosed
WO-2005097116-A1 COMPOSITION COMPRISING A JNK INHIBITOR AND CYCLOSPORIN APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-10-20 WO disclosed
EP-1240164-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS Applied Research Systems ARS Holding N.V. (AN) 2002-09-18 EP disclosed
WO-2001047920-A1 BENZAZOLE DERIVATIVES AND THEIR USE AS JNK MODULATORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-07-05 WO disclosed