SCHEMBL20122862

SCHEMBL20122862

CCn1c2c(-c3cccc(C=O)c3)cc(Cl)cc2c2ccnc(C)c21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.40
DYRK1A Q13627 6/20 0.39
BRD4 O60885 1/20 0.37
AAK1 Q2M2I8 3/20 0.35
HASPIN Q8TF76 4/20 0.35
DYRK2 Q92630 3/20 0.34
DYRK3 O43781 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
AXL P30530 1/20 0.33
AR P10275 1/20 0.32
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL29756390 0.89 PTGER4 (0.42) PTGER4DYRK1ABRD4AAK1HASPIN
SCHEMBL20122859 0.82 PRKCI (0.42) DYRK1AAAK1CCNT1CDK9
SCHEMBL30664212 0.82 PRKCI (0.42) DYRK1AAAK1CCNT1CDK9
SCHEMBL20123023 0.81 DYRK1A (0.45) DYRK1AAAK1HASPINDYRK2APOBEC3G
SCHEMBL29756351 0.81 DYRK1A (0.45) DYRK1AAAK1HASPINDYRK2APOBEC3G
SCHEMBL30664291 0.80 DYRK1A (0.44) DYRK1AAAK1HASPINDYRK2
SCHEMBL20123005 0.80 DYRK1A (0.44) DYRK1AAAK1HASPINDYRK2
SCHEMBL20122984 0.78 DYRK1A (0.43) DYRK1ABRD4AAK1HASPINDYRK2
SCHEMBL30664286 0.78 DYRK1A (0.43) DYRK1ABRD4AAK1HASPINDYRK2
SCHEMBL30664269 0.78 KDM4E (0.45) DYRK1AAAK1HASPINDYRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3318563-A1 SUBSTITUTED PYRIDO[3,4-B]INDOLES FOR THE TREATMENT OF CARTILAGE DISORDERS SANOFI (FR) 2018-05-09 EP disclosed