SCHEMBL16360398

SCHEMBL16360398

Cc1ccc(C2Cc3cnc(N)nc3-c3ccc(C(C)C)cc32)cc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.50
FGFR2 P21802 1/20 0.50
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
ADORA2A P29274 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
KDR P35968 2/20 0.33
PDGFRB P09619 1/20 0.33
PIKFYVE Q9Y2I7 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ADORA1 P30542 1/20 0.31
MAP3K14 Q99558 1/20 0.30

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
SCHEMBL2489875 0.87 FGFR1 (0.49) FGFR1FGFR2KDM4EALDH1A1MAPT
SCHEMBL2489649 0.68 FGFR1 (0.72) FGFR1FGFR2KDM4EALDH1A1POLB
SCHEMBL2487628 0.68 FGFR1 (0.72) FGFR1FGFR2KDM4EALDH1A1POLB
SCHEMBL2801922 0.67 FGFR1 (1.00) FGFR1FGFR2KDM4EALDH1A1ADORA2A
SCHEMBL2803684 0.67 FGFR1 (1.00) FGFR1FGFR2KDM4EALDH1A1ADORA2A
SCHEMBL2804089 0.67 FGFR1 (1.00) FGFR1FGFR2KDM4EALDH1A1ADORA2A
SCHEMBL10069660 0.61 MAPT (0.46) KDM4EALDH1A1MAPTLMNAMEN1
SCHEMBL2802921 0.61 FGFR1 (0.72) FGFR1FGFR2KDM4EALDH1A1MAPT
SCHEMBL2802926 0.61 FGFR1 (0.72) FGFR1FGFR2KDM4EALDH1A1MAPT
SCHEMBL2803623 0.59 FGFR1 (0.61) FGFR1FGFR2KDM4EALDH1A1MAPT

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
WO-2010078421-A1 SUBSTITUTED 5,6-DIHYDRO-6-PHENYLBENZO[F] ISOQUINOLIN-2-AMINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 WO disclosed