SCHEMBL8820698

SCHEMBL8820698

Nc1ncnc2c(C3=CCCC3)cn(-c3ccc(O)cc3)c12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.37
CSF1R P07333 1/20 0.37
SRC P12931 8/20 0.35
EGFR P00533 6/20 0.34
ABL1 P00519 5/20 0.34
ABL2 P42684 5/20 0.34
CDK1 P06493 4/20 0.34
KDR P35968 3/20 0.34
RXFP1 Q9HBX9 1/20 0.31
RPS6KB1 P23443 1/20 0.31
FFAR2 O15552 1/20 0.31
RET P07949 1/20 0.31
RIPK2 O43353 1/20 0.31
GRM2 Q14416 1/20 0.31
CSK P41240 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL8819671 0.88 EGFR (0.42) LIMK1SRCEGFRABL1ABL2
SCHEMBL8819680 0.87 SRC (0.36) LIMK1CSF1RSRCEGFRABL1
SCHEMBL8819471 0.85 PI4KA (0.46) CSF1RSRCEGFRABL1ABL2
SCHEMBL8819661 0.84 SRC (0.38) LIMK1CSF1RSRCEGFRABL1
SCHEMBL8819502 0.80 PI4KA (0.47) SRCEGFRABL1ABL2CDK1
SCHEMBL8819716 0.78 PI4KA (0.48) LIMK1SRCEGFRABL1ABL2
SCHEMBL8820521 0.77 PI4KA (0.46) SRCEGFRABL1ABL2CDK1
SCHEMBL8820858 0.77 SRC (0.54) LIMK1SRCEGFRABL1ABL2
SCHEMBL8819945 0.76 MAPT (0.36) SRCEGFRABL1ABL2KDR
SCHEMBL8819676 0.76 PI4KA (0.47) SRCEGFRABL1ABL2CDK1

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-1997049706-A1 SUBSTITUTED 7-AMINO-PYRROLO[3,2-d]PYRIMIDINES AND THE USE THEREOF NOVARTIS AG (CH) 1997-12-31 WO disclosed