SCHEMBL14194977

SCHEMBL14194977

Cc1nc(NCC2C=CC(Cl)=CC2)ccc1Cc1c[nH]c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 9/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ GPR84 Q9NQS5 2/20 0.45
▸ MET P08581 1/20 0.39
▸ CYP2C9 P11712 3/20 0.38
▸ CYP1A2 P05177 3/20 0.38
▸ FGFR1 P11362 1/20 0.36
▸ FGFR4 P22455 1/20 0.36
▸ CSF1R P07333 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ DRD2 P14416 3/20 0.34
▸ DRD4 P21917 3/20 0.34
▸ DRD3 P35462 3/20 0.34
▸ CACNA1F O60840 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL13976950 0.89 GPR84 (0.45) CYP3A4CYP2C19GPR84METCYP2C9
SCHEMBL14196167 0.89 CYP3A4 (0.54) CYP3A4CYP2C19GPR84METCYP2C9
SCHEMBL14194089 0.89 CYP3A4 (0.47) CYP3A4CYP2C19GPR84METCYP2C9
SCHEMBL14197360 0.84 CSF1R (0.53) CYP3A4CYP2C19GPR84METCYP1A2
SCHEMBL14197363 0.79 CYP3A4 (0.54) CYP3A4CYP2C19GPR84METCYP2C9
SCHEMBL14194080 0.77 GPR84 (0.42) CYP3A4CYP2C19GPR84METCYP1A2
SCHEMBL14197867 0.76 CSF1R (0.53) CYP3A4CYP2C19GPR84METCYP2C9
SCHEMBL878819 0.75 CYP1A2 (0.55) CYP3A4CYP2C19GPR84METCYP2C9
SCHEMBL21304797 0.74 MET (0.60) CYP3A4CYP2C19GPR84METCYP2C9
SCHEMBL21873023 0.74 GPR84 (0.66) CYP3A4CYP2C19GPR84METCYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008063888-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 — — WO disclosed
WO-2008064265-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 — — WO disclosed
WO-2008064255-A2 COMPOUNDS MODULATING C-FMS AND/OR C-KIT ACTIVITY AND USES THEREFOR PLEXXIKON, INC. (US) 2008-05-29 — — WO disclosed
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