SCHEMBL7844860

SCHEMBL7844860

COc1cc(OC)c(Cl)c(N2CC3=C(CN(Nc4ccncc4)C=C3)NC2=O)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.36
FGFR2 P21802 2/20 0.36
FGFR3 P22607 2/20 0.36
KDR P35968 2/20 0.36
FGFR4 P22455 2/20 0.35
JAK2 O60674 1/20 0.32
KCNMA1 Q12791 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7847249 0.70 FGFR1 (0.39) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL3972648 0.69 FGFR4 (0.57) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL7855674 0.67 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3975789 0.61 FGFR4 (0.56) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL21166429 0.60 FGFR4 (0.57) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL29545927 0.59 FGFR4 (0.65) FGFR1FGFR2FGFR3KDRFGFR4
SCHEMBL3970204 0.59 FGFR4 (0.59) FGFR1FGFR2FGFR3FGFR4
SCHEMBL7478752 0.56 KCNMA1 (0.39) JAK2KCNMA1MEN1ALDH1A1PKM
Hydrochloric Acid SCHEMBL7483308 0.55 KCNMA1 (0.38) JAK2KCNMA1MEN1ALDH1A1PKM
SCHEMBL7478486 0.52 KMT2A (0.47) MEN1ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080092-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 2001-03-07 EP claimed
WO-1999061444-A2 BICYCLIC PYRIMIDINES AND BICYCLIC 3,4-DIHYDROPYRIMIDINES AS INHIBITORS OF CELLULAR PROLIFERATION WARNER-LAMBERT COMPANY (US) 1999-12-02 WO claimed