SCHEMBL27975426

SCHEMBL27975426

OC(c1ccc(Nc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 1/20 0.48
▸ KIT P10721 1/20 0.48
▸ EPHX2 P34913 2/20 0.39
▸ BRD4 O60885 2/20 0.39
▸ BRAF P15056 1/20 0.39
▸ CHRNB4 P30926 1/20 0.39
▸ CHRNA3 P32297 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ MDM2 Q00987 2/20 0.37
▸ AAK1 Q2M2I8 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ LIPE Q05469 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35

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
SCHEMBL878781 0.85 CSF1R (0.68) CSF1RKITBRD4HTR2AHTR7
SCHEMBL22978447 0.76 GRM8 (0.46) BRD4
SCHEMBL857484 0.75 CSF1R (0.70) CSF1RKITHTR2AHTR7HTR6
SCHEMBL878759 0.74 MET (0.42) CSF1RKITBRD4
SCHEMBL1267952 0.74 AXL (0.48) BRD4
SCHEMBL21872984 0.74 CDC7 (0.41) BRD4
SCHEMBL28774095 0.74 PTK6 (0.46) —
SCHEMBL1267463 0.73 CSF1R (0.68) CSF1RKITHTR2AHTR7HTR6
SCHEMBL1267798 0.73 MAOB (0.45) CSF1RKITBRD4
SCHEMBL1267562 0.73 CDC7 (0.41) CSF1RKITBRD4

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
CN-103917235-A Kinase modulation and indications therefor PLEXXIKON INC 2014-07-09 — — CN disclosed
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