SCHEMBL8041803

SCHEMBL8041803

Cc1cc(-n2nnnc2Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cs2)sc1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.32
CXCR3 P49682 1/20 0.32
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
F2RL3 Q96RI0 1/20 0.31
HTT P42858 1/20 0.31
PAX8 Q06710 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
ABL1 P00519 1/20 0.30
BCR P11274 1/20 0.30

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
SCHEMBL8043331 0.86 MAPT (0.34) MAPTKDM4ECXCR3MEN1LMNA
SCHEMBL8044629 0.83 ALDH1A1 (0.39) MAPTKDM4ELMNAKMT2AHTT
SCHEMBL8032798 0.82 KDM4E (0.32) MAPTKDM4EHTTPAX8PIP4K2C
SCHEMBL8043842 0.82 KMT2A (0.44) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL8044497 0.82 HTT (0.33) MAPTKDM4ECXCR3MEN1KMT2A
SCHEMBL8048290 0.80 MAPT (0.35) MAPTKDM4ECXCR3MEN1KMT2A
SCHEMBL8046511 0.80 HTT (0.45) MAPTMEN1LMNAKMT2AF2RL3
SCHEMBL8044269 0.79 ALDH1A1 (0.34) MAPTKDM4EMEN1LMNAKMT2A
SCHEMBL8043200 0.79 ALDH1A1 (0.43) MAPTKDM4ELMNAKMT2AHTT
SCHEMBL8050841 0.78 ALDH1A1 (0.37) MAPTKDM4EMEN1LMNAKMT2A

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed