SCHEMBL7976003

SCHEMBL7976003

COc1ccc2c(c1)c(-c1cncc(-c3ccsc3)c1)cn2C(C)C1CCCNC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.40
KDR P35968 8/20 0.38
FLT1 P17948 4/20 0.38
FLT4 P35916 4/20 0.38
ALPL P05186 1/20 0.37
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
HTR6 P50406 2/20 0.34
CYP2A6 P11509 1/20 0.34
NPC1 O15118 1/20 0.34
CHEK1 O14757 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL7987194 0.90 HTR6 (0.37) HTR6CHEK1CDK2PDE4BPDE4D
SCHEMBL7548212 0.88 KDR (0.39) PRKCZKDRFLT1FLT4HTR6
SCHEMBL7990448 0.88 CYP11B1 (0.40) PRKCZHTR6CDK2PDE4BPDE4D
SCHEMBL7975970 0.87 HTR6 (0.39) HTR6CHEK1PDE4BPDE4D
SCHEMBL7510914 0.87 KDR (0.51) PRKCZKDRFLT1FLT4CYP2A6
SCHEMBL7993904 0.87 KDR (0.38) PRKCZKDRFLT1FLT4CYP2A6
SCHEMBL7990169 0.87 PDE4B (0.37) HTR6CDK2PDE4BPDE4D
SCHEMBL7994041 0.85 KDR (0.41) PRKCZKDRFLT1FLT4PDGFRB
SCHEMBL7993914 0.85 HTR6 (0.38) HTR6CDK2PDE4BPDE4D
SCHEMBL7976151 0.83 CCNT1 (0.37) ALPLHTR6CHEK1CDK2PDE4B

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
US-6265403-B1 TYROSINE INHIBITORS MERCK & CO., INC. 2001-07-24 US disclosed