SCHEMBL22677495

SCHEMBL22677495

Brc1cccc(C2=CCNC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.44
HRH1 P35367 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
IDO1 P14902 2/20 0.39
METAP2 P50579 1/20 0.39
IKBKB O14920 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MPI P34949 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 2/20 0.36
TSHR P16473 2/20 0.36
RAB9A P51151 2/20 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
SCHEMBL904011 0.82 HTR2C (0.66) HTR2CSIGMAR1
SCHEMBL3686869 0.78 HTR2C (0.44) HTR2CSIGMAR1IDO1IKBKBCHRNB4
SCHEMBL10354111 0.78 HSD17B1 (0.47) HTR2CSIGMAR1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL11019773 0.76 PIK3CD (0.46) HTR2CSIGMAR1ALDH1A1HSD17B10
SCHEMBL9249946 0.76 HTR2C (0.68) HTR2CSIGMAR1ALDH1A1
SCHEMBL2173351 0.76 SIGMAR1 (0.65) HTR2CSIGMAR1ALDH1A1ALOX15HSD17B10
Hydrochloric Acid SCHEMBL10354116 0.74 HTR2C (0.67) HTR2CSIGMAR1ALDH1A1ALOX15HSD17B10
SCHEMBL10354136 0.74 HTR2C (0.72) HTR2CHRH1HRH4SIGMAR1IDO1
SCHEMBL10353908 0.74 NCOA1 (0.46) HTR2CGAAMAPTKDM4ENCOA1
SCHEMBL4789903 0.73 ADRA2A (0.41) HTR2CHRH1HRH4IDO1METAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4306529-A2 FGFR INHIBITORS AND METHODS OF USE THEREOF Relay Therapeutics, Inc. (US) 2024-01-17 EP disclosed
WO-2020231990-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2020-11-19 WO disclosed