SCHEMBL9738507

SCHEMBL9738507

Nc1cnc(Cl)nc1NCc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 2/20 0.44
MAP4K4 O95819 1/20 0.44
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
PLA2G1B P04054 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
VNN1 O95497 1/20 0.42
KDM4E B2RXH2 1/20 0.41
AURKA O14965 1/20 0.41

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
SCHEMBL2032760 0.87 L3MBTL1 (0.54) MEN1KMT2AL3MBTL1CYP1A2CYP2C9
SCHEMBL12515566 0.83 MEN1 (0.47) MEN1KMT2AL3MBTL1CYP1A2CYP2C9
SCHEMBL6209176 0.83 MEN1 (0.47) MEN1KMT2AL3MBTL1CYP1A2CYP2C9
SCHEMBL22261128 0.81 JAK3 (0.57) VNN1AURKARPS6KB1
SCHEMBL12069119 0.80 APP (0.55) ATMEGFR
SCHEMBL25436218 0.79 VNN1 (0.50) MEN1KMT2AL3MBTL1CYP1A2CYP2C9
SCHEMBL3844908 0.76 PRKCQ (0.42) MEN1KMT2AHPGDADORA3ADORA1
SCHEMBL11013921 0.73 KDM4C (0.54) MEN1KMT2AL3MBTL1CYP1A2CYP2C9
SCHEMBL9476148 0.73 MEN1 (0.48) MEN1KMT2AL3MBTL1CYP1A2CYP2C9
SCHEMBL7257523 0.73 ALDH1A1 (0.48) L3MBTL1CYP1A2CYP2C19ALDH1A1MAP4K4

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
US-5110818-A Antiepileptic agents CIBA-GEIGY CORPORATION (US) 1992-05-05 US disclosed
EP-0363320-A2 Substituted 9H purine CIBA-GEIGY AG (CH) 1990-04-11 EP disclosed