SCHEMBL25907397

SCHEMBL25907397

Cc1nn(-c2cncc(F)c2)c(C)c1-c1cc([C@@]23CCOCC2C3)nc2c(-c3ccn[nH]3)cnn12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
ATR Q13535 3/20 0.31
ATRIP Q8WXE1 3/20 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
SCHEMBL25907891 1.00 CHEK1 (0.33) CHEK1CCNA2CDK2CCNA1ATR
SCHEMBL25907399 1.00 CHEK1 (0.33) CHEK1CCNA2CDK2CCNA1ATR
SCHEMBL25909202 1.00 CHEK1 (0.33) CHEK1CCNA2CDK2CCNA1ATR
SCHEMBL25908820 1.00 CHEK1 (0.33) CHEK1CCNA2CDK2CCNA1ATR
SCHEMBL25907888 0.90 ATR (0.33) CHEK1CCNA2CDK2CCNA1ATR
SCHEMBL25907394 0.90 ATR (0.33) CHEK1CCNA2CDK2CCNA1ATR
SCHEMBL25907393 0.90 ATR (0.33) CHEK1CCNA2CDK2CCNA1ATR
SCHEMBL25907890 0.90 ATR (0.33) CHEK1CCNA2CDK2CCNA1ATR
SCHEMBL25908783 0.90 ATR (0.33) CHEK1CCNA2CDK2CCNA1ATR
SCHEMBL25159999 0.82 ATR (0.46) ATRATRIP

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
WO-2023138343-A1 NEW TYPE PYRAZOLOPYRIMIDINE COMPOUND AND COMPOSITION THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏亚尧生物科技有限公司 2023-07-27 WO disclosed