SCHEMBL22270647

SCHEMBL22270647

CNc1ccc(-c2nccnc2N(C)Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 7/20 0.41
▸ PTGDR2 Q9Y5Y4 4/20 0.41
▸ PDE5A O76074 1/20 0.40
▸ EGFR P00533 4/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ LIMK2 P53671 1/20 0.38
▸ METAP2 P50579 1/20 0.38
▸ METAP1 P53582 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ PIK3R1 P27986 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL18447913 0.83 LMNA (0.43) CSF1RPTGDR2PDE5AEGFRMETAP2
SCHEMBL22271053 0.72 HPGD (0.46) CYP1A2CYP3A4CYP2D6CYP2C19LIMK2
SCHEMBL18485898 0.70 RAB9A (0.54) CSF1RPDE5ACYP1A2CYP3A4CYP2D6
SCHEMBL21639691 0.66 RAB9A (0.49) CSF1RPDE5ACYP1A2CYP3A4CYP2D6
SCHEMBL12574994 0.66 BRD4 (0.43) CSF1RPDE5ACYP1A2CYP3A4CYP2D6
SCHEMBL2024425 0.66 GABRA1 (0.44) CSF1RPDE5ACYP1A2CYP3A4CYP2D6
SCHEMBL18483421 0.66 TRPV1 (0.44) CYP2C9SMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL12889093 0.65 ALDH1A1 (0.54) CSF1RPDE5ACYP1A2CYP3A4CYP2D6
SCHEMBL9379285 0.65 PDE5A (0.52) CSF1RPDE5ACYP1A2CYP3A4CYP2D6
SCHEMBL18483362 0.65 ALDH1A1 (0.38) LIMK2ALDH1A1TSHR

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
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
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