SCHEMBL5759742

SCHEMBL5759742

Cc1cc(Nc2nccc(N3CCCc4cccc(C)c43)n2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.42
CDK2 P24941 4/20 0.40
JAK2 O60674 3/20 0.40
JAK3 P52333 3/20 0.40
CDK4 P11802 1/20 0.40
EGFR P00533 3/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
PDGFRA P16234 1/20 0.38
STAT5A P42229 1/20 0.38
ACVR1 Q04771 1/20 0.38
PKMYT1 Q99640 1/20 0.38
ROCK1 Q13464 1/20 0.38
KDR P35968 3/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
SYK P43405 1/20 0.37
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 1/20 0.37

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
SCHEMBL5761986 0.86 CDK4 (0.42) SCN9ACDK2JAK2JAK3CDK4
SCHEMBL5760461 0.85 ROCK1 (0.40) CDK2JAK2JAK3EGFRROCK1
SCHEMBL5757754 0.84 PTK2 (0.47) CDK2JAK2JAK3CDK4PDGFRB
SCHEMBL5757460 0.83 ROCK1 (0.47) SCN9ACDK2JAK2JAK3CDK4
SCHEMBL5758741 0.83 L3MBTL1 (0.52) CDK2SRCKDRFLT1FLT4
SCHEMBL5760336 0.82 AURKA (0.45) JAK2JAK3SYKFFAR1FFAR4
SCHEMBL5760444 0.81 SYK (0.42) JAK2JAK3EGFRROCK1FLT4
SCHEMBL5758924 0.81 IDH1 (0.52) SCN9AROCK1KDRFLT1FLT4
SCHEMBL5759805 0.80 CDK2 (0.41) CDK2CDK4EGFRFGFR1SRC
SCHEMBL5760237 0.80 PTK2 (0.58) JAK2JAK3PDGFRBFGFR1PDGFRA

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
EP-1242403-B1 2,4-DIAMINOPYRIMIDINE COMPOUNDS USFUL AS IMMUNOSUPPRESSANTS PFIZER PROD INC (US) 2006-01-04 EP claimed