SCHEMBL32679377

SCHEMBL32679377

NC(=O)n1ccc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.55
TEK Q02763 1/20 0.55
TTBK1 Q5TCY1 7/20 0.55
TTBK2 Q6IQ55 6/20 0.55
MAPT P10636 4/20 0.51
TP53 P04637 3/20 0.51
EGFR P00533 3/20 0.50
ABL1 P00519 3/20 0.50
BCR P11274 3/20 0.50
ERBB2 P04626 2/20 0.50
RIPK2 O43353 1/20 0.48
EPHB2 P29323 1/20 0.48
LMNA P02545 1/20 0.48
PIP4K2A P48426 1/20 0.46
PIK3CG P48736 1/20 0.46
ERBB4 Q15303 1/20 0.46
AURKA O14965 1/20 0.43
RPS6KB1 P23443 1/20 0.43

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
SCHEMBL32679379 0.87 KDR (0.54) KDRTEKTTBK1TTBK2MAPT
SCHEMBL32679402 0.82 TTBK1 (0.47) KDRTEKTTBK1TTBK2MAPT
SCHEMBL32679394 0.82 EGFR (0.52) KDRTEKTTBK1TTBK2MAPT
SCHEMBL32679393 0.82 EGFR (0.52) KDRTEKTTBK1TTBK2MAPT
SCHEMBL32679373 0.81 TTBK1 (0.45) KDRTEKTTBK1TTBK2MAPT
SCHEMBL32679395 0.81 TTBK1 (0.45) KDRTEKTTBK1TTBK2MAPT
SCHEMBL4415573 0.81 PIP4K2A (0.47) KDRTEKTTBK1TTBK2MAPT
SCHEMBL32679397 0.80 TTBK1 (0.44) KDRTEKTTBK1TTBK2MAPT
SCHEMBL32679398 0.80 PIP4K2A (0.48) KDRTEKTTBK1TTBK2MAPT
SCHEMBL32679401 0.80 TTBK1 (0.44) KDRTEKTTBK1TTBK2MAPT

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-120424083-B Pyrrolo pyrimidine compound and preparation method and application thereof 江西省肿瘤医院(江西省第二人民医院、江西省癌症中心) 2026-02-27 CN disclosed