SCHEMBL1858385

SCHEMBL1858385

COc1cc(CCn2nccc2NC(=O)c2ccc(N3CCCNCC3)cc2)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
NR4A1 P22736 1/20 0.44
MCL1 Q07820 1/20 0.44
FGFR1 P11362 2/20 0.44
NTRK1 P04629 1/20 0.44
RET P07949 1/20 0.44
PDGFRB P09619 1/20 0.44
MARK3 P27448 1/20 0.44
TNK2 Q07912 1/20 0.44
DDR1 Q08345 1/20 0.44
MAP4K2 Q12851 1/20 0.44
MAP3K11 Q16584 1/20 0.44
DDR2 Q16832 1/20 0.44
MARK2 Q7KZI7 1/20 0.44
MAP4K3 Q8IVH8 1/20 0.44
MAP4K1 Q92918 1/20 0.44
AURKB Q96GD4 1/20 0.44

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
SCHEMBL63441 0.79 FGFR1 (0.52) MAPTALDH1A1RAB9AKMT2ANR4A1
SCHEMBL63300 0.75 FGFR1 (0.51) MAPTALDH1A1RAB9AKMT2ANR4A1
SCHEMBL64066 0.74 FGFR1 (0.75) FGFR1NTRK1RETPDGFRBMARK3
SCHEMBL1859932 0.74 NPC1 (0.53) MAPTRAB9AKMT2AF10NPC1
Hydrochloric Acid SCHEMBL64171 0.74 FGFR1 (0.51) MAPTALDH1A1RAB9AKMT2ANR4A1
SCHEMBL1535779 0.73 CHRM3 (0.56) MAPTALDH1A1KMT2AMAPKAPK2ADRB1
SCHEMBL62894 0.70 FGFR1 (0.76) MAPTALDH1A1RAB9AKMT2ANR4A1
SCHEMBL22495337 0.69 MAPT (0.79) MAPTALDH1A1RAB9AKMT2ANR4A1
SCHEMBL63445 0.68 F10 (0.55) RAB9AFGFR1NTRK1RETPDGFRB
SCHEMBL64452 0.68 SIRT2 (0.43) MAPTALDH1A1RAB9AKMT2AFGFR1

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-2125748-B1 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2011-05-25 EP disclosed