SCHEMBL16740671

SCHEMBL16740671

CO[C@@H]1CNC(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CTSC P53634 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ABCB1 P08183 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL18589423 0.84 CHIT1 (0.36)
SCHEMBL18607672 0.84 CHIT1 (0.36)
Hydrochloric Acid SCHEMBL18577079 0.83 CHIT1 (0.36)
SCHEMBL7915444 0.81 BCHE (0.48) CTSC
SCHEMBL7915130 0.81 BCHE (0.48) CTSC
SCHEMBL7915133 0.81 BCHE (0.48) CTSC
SCHEMBL19226396 0.81 POLB (0.45) POLBMEN1KMT2A
SCHEMBL27540551 0.80 POLB (0.39) POLBMEN1KMT2A
SCHEMBL23477963 0.77 POLB (0.47) POLBMEN1KMT2A
SCHEMBL14360008 0.77 POLB (0.47) POLBMEN1KMT2A

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-3071570-A1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS Pfizer Inc. (US) 2016-09-28 EP disclosed
WO-2015075598-A1 2,6-SUBSTITUTED PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PROLIFERATIVE DISORDERS PFIZER INC. (US) 2015-05-28 WO disclosed