SCHEMBL24335744

SCHEMBL24335744

CC(N)(c1ccc(F)cc1)c1cnc(C2=CCNCC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ CCNT1 O60563 6/20 0.36
▸ CDK9 P50750 6/20 0.36
▸ KHK P50053 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ SIGMAR1 Q99720 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
SCHEMBL20760446 0.85 HTR2C (0.39) HTR2CHTR2AHTR7HTR6ALOX5AP
SCHEMBL15001472 0.76 HRH3 (0.46) HTR2CHTR2AHTR7HTR6CCNT1
SCHEMBL28439457 0.75 HTR6 (0.39) HTR2CHTR2AHTR7HTR6CCNT1
SCHEMBL20759670 0.75 HTR6 (0.39) HTR2CHTR2AHTR7HTR6CCNT1
Hydrochloric Acid SCHEMBL28448600 0.75 HTR2C (0.38) HTR2CHTR2AHTR7HTR6ALOX5AP
Hydrochloric Acid SCHEMBL28448601 0.75 HTR2C (0.38) HTR2CHTR2AHTR7HTR6ALOX5AP
SCHEMBL20759680 0.73 BTK (0.36) HTR2CHTR2AHTR7HTR6ALOX5AP
SCHEMBL20759806 0.73 HTR2C (0.40) HTR2CHTR6ALOX5APFEN1CCNT1
SCHEMBL20760623 0.73 NPC1 (0.44) HTR2CHTR2AHTR7HTR6CCNT1
SCHEMBL20759601 0.72 SIGMAR1 (0.49) HTR2CHTR2AHTR7HTR6CCNT1

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-2022081627-A1 COMPOSITIONS AND METHODS FOR TREATING KIT-AND PDGFRA-MEDIATED DISEASES BLUEPRINT MEDICINES CORPORATION (US) 2022-04-21 — — WO disclosed
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