SCHEMBL2474566

SCHEMBL2474566

N#Cc1cc(Oc2cc(F)cc(F)c2)ccc1N.Nc1n[nH]c2ccc(Oc3cc(F)cc(F)c3)cc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.45
NTRK3 Q16288 2/20 0.45
NTRK2 Q16620 2/20 0.45
LRRK2 Q5S007 7/20 0.42
JAK2 O60674 5/20 0.37
PDPK1 O15530 1/20 0.37
MAP2K1 Q02750 1/20 0.36
PFKFB2 O60825 1/20 0.33
PFKFB1 P16118 1/20 0.33
PFKFB3 Q16875 1/20 0.33
BTK Q06187 1/20 0.33
EPAS1 Q99814 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL1334913 0.86 NTRK1 (0.55) NTRK1NTRK3NTRK2JAK2PDPK1
SCHEMBL1335503 0.83 NR4A1 (0.42) EPAS1CYP19A1
SCHEMBL2443498 0.77 JAK2 (0.49) NTRK1NTRK3NTRK2LRRK2JAK2
SCHEMBL1336580 0.76 BTK (0.49) NTRK1NTRK3NTRK2LRRK2JAK2
SCHEMBL5073657 0.73 NR4A1 (0.54) CYP19A1
SCHEMBL1333336 0.73 CYP19A1 (0.43) CYP19A1
SCHEMBL11481973 0.72 NR4A1 (0.52) CYP19A1
SCHEMBL1336206 0.70 JAK2 (0.58) JAK2PDPK1BTK
SCHEMBL1336620 0.70 JAK2 (0.58) JAK2PDPK1BTK
SCHEMBL1336197 0.69 NTRK1 (0.60) NTRK1NTRK3NTRK2JAK2PDPK1

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-2373626-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2011-10-12 EP disclosed
WO-2010069966-A1 SUBSTITUTED INDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-06-24 WO disclosed