SCHEMBL29790002

SCHEMBL29790002

Nc1ccc(-n2c(=O)c(N)c(N)c3ccc(C(F)(F)F)nc32)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 18/20 0.54
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
PMP22 Q01453 1/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 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
SCHEMBL24596271 1.00 MAT2A (0.54) MAT2ACYP3A4NFKB1PMP22ALDH1A1
SCHEMBL24596318 0.90 MAT2A (0.53) MAT2A
SCHEMBL31042367 0.85 MAT2A (0.47) MAT2A
SCHEMBL26121301 0.85 MAT2A (0.47) MAT2A
SCHEMBL24596379 0.83 MAT2A (0.47) MAT2A
SCHEMBL24596266 0.83 MAT2A (0.47) MAT2ACYP3A4NFKB1PMP22
SCHEMBL26631689 0.82 MAT2A (0.46) MAT2A
SCHEMBL29789990 0.81 MAT2A (0.47) MAT2AALDH1A1
SCHEMBL26631699 0.81 MAT2A (0.47) MAT2AALDH1A1
SCHEMBL31339936 0.80 MAT2A (0.43) MAT2ACYP3A4NFKB1PMP22

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-2022143864-A1 TRICYCLIC COMPOUND AND USE THEREOF 江苏先声药业有限公司 2022-07-07 WO disclosed