SCHEMBL4190281

SCHEMBL4190281

N#CCC1C=CN=C(NCCc2ccc(Br)cc2)N1c1nc2ccccc2s1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 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
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPY1R P25929 15/20 0.33
ILK Q13418 1/20 0.32
MGLL Q99685 1/20 0.32
NPY5R Q15761 1/20 0.31

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) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL4192264 0.91 LMNA (0.40) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL7704544 0.91 ILK (0.41) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL4190183 0.91 MAPT (0.40) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL4186370 0.89 RAB9A (0.42) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL4191147 0.89 RAB9A (0.39) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL4193844 0.88 ALDH1A1 (0.39) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL4190241 0.87 CYP1A2 (0.37) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL4184088 0.86 CSNK1D (0.40) ALDH1A1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1005758 0.86 MAPK8 (0.46) ALDH1A1LMNACYP1A2CYP3A4CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470686-B2 Method of inhibiting the expression and/or the activity of JNK LABORATOIRES SERONO SA (CH) 2008-12-30 US 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-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