SCHEMBL30833778

SCHEMBL30833778

CP(C)c1ccccc1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 6/20 0.43
CDK2 P24941 6/20 0.43
CCNK O75909 4/20 0.43
CDK9 P50750 4/20 0.43
CCND3 P30281 3/20 0.43
CDK6 Q00534 3/20 0.43
LRRK2 Q5S007 4/20 0.42
ALK Q9UM73 1/20 0.41
ULK1 O75385 1/20 0.41
KMT2A Q03164 1/20 0.40
BCL6 P41182 1/20 0.40
JAK2 O60674 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK3 P27361 1/20 0.38
AURKA O14965 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL15600758 1.00 CCNA2 (0.43) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL29761996 1.00 CCNA2 (0.43) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL19312831 0.87 CCNA2 (0.45) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL22520101 0.87 LRRK2 (0.38) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL21558104 0.86 BCL6 (0.58) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL21557746 0.86 IGF1R (0.51) CDK2CDK9LRRK2ALKKMT2A
SCHEMBL30701638 0.86 IGF1R (0.51) CDK2CDK9LRRK2ALKKMT2A
SCHEMBL25530155 0.86 AURKA (0.47) CDK2ALKKMT2ABCL6JAK2
SCHEMBL29399794 0.85 LRRK2 (0.42) CCNA2CDK2CCNKCDK9CCND3
SCHEMBL28295859 0.82 ULK1 (0.47) CDK2CDK9ULK1JAK2MAPK3

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
CN-113896744-B Selective EGFR inhibitor 成都先导药物开发股份有限公司 2024-04-16 CN disclosed