SCHEMBL29975540

SCHEMBL29975540

BrB(Br)Br.COc1cc(C(F)(F)F)ccc1-c1nnc(NC[C@@H]2CCCN2)nc1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.41
IL1B P01584 3/20 0.41
EHMT2 Q96KQ7 1/20 0.38
IDO1 P14902 3/20 0.37
TDO2 P48775 3/20 0.37
SCN9A Q15858 7/20 0.37
HTR2A P28223 1/20 0.37
NLRP3 Q96P20 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
SCHEMBL27182190 0.97 CRHR1 (0.44) CRHR1IL1BEHMT2IDO1TDO2
SCHEMBL26438937 0.85 IL1B (0.54) IL1BIDO1TDO2SCN9ANLRP3
SCHEMBL29326810 0.85 IL1B (0.54) IL1BIDO1TDO2SCN9ANLRP3
SCHEMBL27182175 0.75 CRHR1 (0.40) CRHR1
SCHEMBL29326134 0.73 TRPV1 (0.43) CRHR1
SCHEMBL26439193 0.72 NLRP3 (0.56) CRHR1IL1BSCN9ANLRP3
SCHEMBL29326825 0.72 BCDIN3D (0.47) IL1BNLRP3
SCHEMBL26092539 0.70 IL1B (0.57) CRHR1IL1BNLRP3
SCHEMBL26092532 0.70 IL1B (0.57) CRHR1IL1BNLRP3
SCHEMBL29326670 0.70 NLRP3 (0.54) CRHR1IL1BNLRP3

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-2022230912-A1 SUBSTITUTED TRIAZINE COMPOUND アステラス製薬株式会社 2022-11-03 WO disclosed