SCHEMBL4767274

SCHEMBL4767274

COc1ccc2c(C(F)(F)F)nnc(N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC8 Q09428 1/20 0.48
KCNJ11 Q14654 1/20 0.48
DYRK1A Q13627 1/20 0.44
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CLK1 P49759 2/20 0.40
CDK2 P24941 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HASPIN Q8TF76 1/20 0.39
DYRK2 Q92630 1/20 0.39
CYP3A4 P08684 1/20 0.39
EPHX2 P34913 1/20 0.38
APP P05067 1/20 0.38
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4115923 0.81 DYRK1A (0.44) ABCC8KCNJ11DYRK1AMAPTALDH1A1
SCHEMBL29945802 0.79 PDE3B (0.38) ABCC8KCNJ11MAPTALDH1A1KDM4E
SCHEMBL4724370 0.77 SMN1; SMN2 (0.46) DYRK1AMAPTALDH1A1KDM4EMEN1
SCHEMBL26433546 0.73 ALDH1A1 (0.43) DYRK1AMAPTALDH1A1KDM4EMEN1
SCHEMBL30014143 0.72 KDM4E (0.62) MAPTALDH1A1KDM4ENPSR1CYP3A4
SCHEMBL24393123 0.72 DYRK1A (0.44) ABCC8KCNJ11DYRK1AMAPTALDH1A1
SCHEMBL4134456 0.70 PIK3CA (0.47) ABCC8KCNJ11DYRK1AMAPTALDH1A1
SCHEMBL24392637 0.69 DYRK1A (0.41) ABCC8KCNJ11DYRK1AMAPTALDH1A1
SCHEMBL24391802 0.69 DYRK1A (0.41) ABCC8KCNJ11DYRK1AMAPTALDH1A1
SCHEMBL12348055 0.67 DYRK1A (0.55) ABCC8KCNJ11DYRK1AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940823-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2008-07-09 EP disclosed
WO-2007042660-A2 SUBSTITUTED 1-AMINO-PHTHALZINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-04-19 WO disclosed