SCHEMBL5861793

SCHEMBL5861793

Nc1nc(N)c2c(Cn3c4ccccc4c4ccccc43)csc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 3/20 0.38
▸ CYP19A1 P11511 1/20 0.37
▸ DHFR P00374 1/20 0.34
▸ PRKD3 O94806 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ RET P07949 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FLT1 P17948 1/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ AXL P30530 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ IRAK1 P51617 1/20 0.34
▸ NTRK3 Q16288 1/20 0.34
▸ HIPK4 Q8NE63 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ SRPK1 Q96SB4 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34

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
SCHEMBL5861809 0.74 PRKD3 (0.33) PRKD3CSF1RRETFGFR1FLT1
SCHEMBL5861834 0.74 DHFR (0.46) DHFRKDR
SCHEMBL5860256 0.73 MEN1 (0.37) DHFR
SCHEMBL5860520 0.70 DHFR (0.39) DHFRPRKD3CSF1RRETFGFR1
SCHEMBL12683113 0.65 CYP19A1 (0.53) CYP19A1CYP1A2CYP2C19
SCHEMBL5861671 0.65 CYP19A1 (0.50) CYP19A1DHFR
SCHEMBL5860404 0.65 DHFR (0.55) DHFR
SCHEMBL5861794 0.64 CYP19A1 (0.44) CYP19A1CYP1A2CYP2C19
SCHEMBL14492829 0.64 CYP19A1 (0.61) CYP19A1CYP1A2CYP2C19
SCHEMBL25972538 0.64 CYP19A1 (0.52) CYP19A1CYP1A2CYP2C19

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-7056911-B1 Dibenz[B,F]azepine compounds, pharmaceutical compositions comprising same and methods of use thereof DANA-FARBER CANCER INSTITUTE (US) 2006-06-06 — — US disclosed
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