SCHEMBL18642904

SCHEMBL18642904

Nc1ncnc2[nH]nc(C(=O)Nc3cc(C4CC4)[nH]n3)c12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.66
CCNA2 P20248 12/20 0.54
CDK2 P24941 12/20 0.54
CCNA1 P78396 12/20 0.54
LCK P06239 2/20 0.47
SRC P12931 2/20 0.47

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
SCHEMBL18642905 0.95 RET (0.66) RETCCNA2CDK2CCNA1LCK
SCHEMBL18642791 0.81 RET (0.64) RETLCKSRC
SCHEMBL18642792 0.81 RET (0.63) RETLCKSRC
SCHEMBL19732739 0.80 RET (1.00) RET
SCHEMBL19732746 0.80 RET (1.00) RETLCKSRC
SCHEMBL18642903 0.78 RET (0.66) RETCCNA2CDK2CCNA1LCK
SCHEMBL18642794 0.78 RET (0.66) RETLCKSRC
SCHEMBL18643070 0.78 RET (0.65) RETLCKSRC
SCHEMBL18642937 0.78 RET (0.62) RETCCNA2CDK2CCNA1LCK
SCHEMBL19732785 0.78 RET (0.96) RET

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-2017043550-A1 CONDENSED PYRIMIDINE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-03-16 WO disclosed