SCHEMBL9205154

SCHEMBL9205154

Cc1nc2c(C#N)cnn2c(Cl)c1CCCl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 2/20 0.54
KDM4C Q9H3R0 1/20 0.54
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CDK2 P24941 1/20 0.44
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
GLA P06280 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CSNK2A1 P68400 7/20 0.39
HTT P42858 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KDM4D Q6B0I6 1/20 0.37

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
SCHEMBL6623749 0.89 KDM5A (0.45) KDM5AKDM4CKDM4EALDH1A1HPGD
SCHEMBL9215707 0.82 DPP4 (0.34) KDM5AKDM4CKDM4EALDH1A1HPGD
SCHEMBL9213889 0.81 GSK3B (0.36) KDM5AKDM4CKDM4EALDH1A1HPGD
SCHEMBL6624351 0.80 KDM4E (0.57) KDM5AKDM4CKDM4EALDH1A1HPGD
SCHEMBL8207281 0.76 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5438939 0.76 CDK2 (0.48) KDM5AKDM4CKDM4EALDH1A1HPGD
SCHEMBL8185805 0.74 POLB (0.40) KDM4EALDH1A1HSD17B10KMT2AGAA
SCHEMBL9211680 0.74 KDM4E (0.48) KDM5AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5826567 0.73 MAPT (0.37) KDM4EALDH1A1HPGDHSD17B10KMT2A
SCHEMBL8184450 0.71 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369145-B1 Pyrrolo[3,2-e]pyrazolo[1,5-a]pyrimidine derivatives and medicines comprising the same POLA CHEM IND INC (JP) 1995-12-27 EP disclosed
US-4992442-A Bronchodilator agents POLA CHEMICAL INDUSTRIES INC., JAPAN (JP) 1991-02-12 US disclosed
EP-0369145-A2 Pyrrolo[3,2-e]pyrazolo[1,5-a]pyrimidine derivatives and medicines comprising the same POLA CHEMICAL INDUSTRIES INC., JAPAN (JP) 1990-05-23 EP disclosed