SCHEMBL28143318

SCHEMBL28143318

C[C](C)Cn1ccc2cc(Br)ccc21

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.58
▸ HTR2C P28335 1/20 0.58
▸ NTSR1 P30989 1/20 0.53
▸ HTR7 P34969 2/20 0.49
▸ KRAS P01116 7/20 0.47
▸ SLC6A2 P23975 2/20 0.40
▸ PRMT5 O14744 2/20 0.39
▸ MCL1 Q07820 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL418013 0.81 KMT2A (0.60) HTR2AHTR2CNTSR1HTR7KRAS
SCHEMBL27872943 0.81 KMT2A (0.41) HTR2AHTR2CNTSR1PRMT5KMT2A
SCHEMBL3478164 0.80 HTR2A (0.63) HTR2AHTR2CNTSR1HTR7KRAS
SCHEMBL2008953 0.80 HTR2A (0.55) HTR2AHTR2CNTSR1HTR7KRAS
SCHEMBL21810428 0.80 NTSR1 (0.57) HTR2AHTR2CNTSR1HTR7KRAS
SCHEMBL28189356 0.79 NTSR1 (0.53) HTR2AHTR2CNTSR1KMT2A
SCHEMBL27591506 0.79 HTR2A (0.58) HTR2AHTR2CKRASSLC6A2PRMT5
SCHEMBL11893595 0.79 HTR2A (0.54) HTR2AHTR2CNTSR1HTR7KRAS
SCHEMBL4485443 0.77 NTSR1 (0.52) HTR2AHTR2CNTSR1HTR7KRAS
SCHEMBL14061899 0.77 HTR2A (0.59) HTR2AHTR2CNTSR1HTR7KRAS

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
CN-103626742-B Bi-aryl meta-pyrimidine inhibitors of kinases 塔格根公司 2017-04-26 — — CN disclosed
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