SCHEMBL26069641

SCHEMBL26069641

COc1cc2nc(C)nc(N)c2cc1OCC1(N(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
SMARCA2 P51531 1/20 0.49
KMT2A Q03164 1/20 0.49
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
UBE2N P61088 1/20 0.41
PDPK1 O15530 1/20 0.41
KRAS P01116 1/20 0.41
SOS1 Q07889 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
SCHEMBL24355263 0.85 POLB (0.46) POLBLMNAGLAGAASMARCA2
SCHEMBL24355109 0.82 KRAS (0.46) POLBLMNAGLAGAASMARCA2
SCHEMBL24355416 0.81 KRAS (0.59) POLBLMNAGLAGAASMARCA2
SCHEMBL3265628 0.80 POLB (0.61) POLBLMNAGLAGAASMARCA2
SCHEMBL24355241 0.80 POLB (0.42) POLBLMNAGLAGAASMARCA2
SCHEMBL29756065 0.77 PDPK1 (0.57) POLBLMNAGLAGAASMARCA2
SCHEMBL24355432 0.77 PDPK1 (0.57) POLBLMNAGLAGAASMARCA2
SCHEMBL28941828 0.74 SOS1 (0.78) KRASSOS1
SCHEMBL24355284 0.74 SOS1 (0.78) KRASSOS1
SCHEMBL24355108 0.74 PDE4A (0.45) PDPK1

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-4234548-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) 2023-08-30 EP disclosed