SCHEMBL13837913

SCHEMBL13837913

CBc1cc(NC(=O)c2cccc(C(C)(C)N)c2)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 4/20 0.53
▸ LCK P06239 4/20 0.53
▸ BTK Q06187 3/20 0.53
▸ KIT P10721 2/20 0.53
▸ MAPK14 Q16539 2/20 0.53
▸ KDR P35968 1/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ BRAF P15056 7/20 0.50
▸ KCNK3 O14649 2/20 0.50
▸ KCNK9 Q9NPC2 1/20 0.50
▸ ABL1 P00519 1/20 0.49
▸ SRC P12931 1/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MAPT P10636 1/20 0.47
▸ BLK P51451 1/20 0.46

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
SCHEMBL10092868 0.84 CSF1R (0.55) CSF1RLCKBTKKITMAPK14
SCHEMBL13838142 0.83 RAB9A (0.53) CSF1RLCKBTKKITMAPK14
SCHEMBL12065276 0.78 LCK (0.55) CSF1RLCKBTKKITMAPK14
SCHEMBL12858422 0.75 MEN1 (0.73) CSF1RLCKBTKKITMAPK14
SCHEMBL374471 0.74 PTGS1 (0.70) CSF1RLCKBTKKITMAPK14
SCHEMBL26074343 0.74 HDAC8 (0.64) CSF1RLCKKITMAPK14KDR
SCHEMBL22548671 0.73 MEN1 (0.67) CSF1RLCKBTKKITMAPK14
Hydrochloric Acid SCHEMBL5004557 0.73 PTGS1 (0.68) CSF1RLCKBTKKITMAPK14
SCHEMBL13837940 0.73 EPHB4 (0.51) CSF1RLCKBTKKITMAPK14
SCHEMBL24249928 0.73 MEN1 (0.70) CSF1RLCKBTKKITMAPK14

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-2012148792-A1 HETEROCYCLIC COMPOUNDS AS B-RAF INHIBITORS FOR TREATMENT OF CANCER MERCK SHARP & DOHME CORP. (US) 2012-11-01 — — WO disclosed
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