SCHEMBL25949258

SCHEMBL25949258

CN1CCCC(C(F)(F)F)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NCF1 P14598 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.32
HTR7 P34969 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR2A P28223 2/20 0.30
HRH3 Q9Y5N1 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL15038219 1.00 ATM (0.36) ATML3MBTL1NCF1GAAPOLB
SCHEMBL178803 0.91 NCF1 (0.39) NCF1ALDH1A1HTR2AHRH3
SCHEMBL14985398 0.82 ATM (0.47) ATML3MBTL1GAAPOLBHTR7
SCHEMBL14985380 0.82 ATM (0.47) ATML3MBTL1GAAPOLBHTR7
SCHEMBL9230772 0.82 ATM (0.47) ATML3MBTL1GAAPOLBHTR7
SCHEMBL22142247 0.79 L3MBTL1 (0.37) ATML3MBTL1NCF1ALDH1A1HRH3
SCHEMBL10236411 0.79 L3MBTL1 (0.37) ATML3MBTL1NCF1ALDH1A1HRH3
SCHEMBL6889570 0.78 ALDH1A1 (0.42) L3MBTL1NCF1GAAALDH1A1SMN1; SMN2
SCHEMBL14930346 0.76 NCF1 (0.36) ATML3MBTL1NCF1GAAPOLB
SCHEMBL14022396 0.76 NCF1 (0.36) ATML3MBTL1NCF1GAAPOLB

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
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed