SCHEMBL24355263

SCHEMBL24355263

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
GAA P10253 1/20 0.46
SMARCA2 P51531 1/20 0.46
KRAS P01116 1/20 0.45
SOS1 Q07889 1/20 0.45
PDPK1 O15530 1/20 0.39
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
UBE2N P61088 1/20 0.39
MEN1 O00255 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
SCHEMBL24355109 0.86 KRAS (0.46) POLBKMT2ALMNAGLAGAA
SCHEMBL26069641 0.85 POLB (0.49) POLBKMT2ALMNAGLAGAA
SCHEMBL24355416 0.84 KRAS (0.59) POLBKMT2ALMNAGLAGAA
SCHEMBL24355241 0.82 POLB (0.42) POLBKMT2ALMNAGLAGAA
SCHEMBL3265628 0.78 POLB (0.61) POLBKMT2ALMNAGLAGAA
SCHEMBL31093437 0.75 SOS1 (0.82) KRASSOS1
SCHEMBL25371510 0.75 SOS1 (0.82) KRASSOS1
SCHEMBL24355188 0.75 SOS1 (0.82) KRASSOS1
SCHEMBL24355432 0.74 PDPK1 (0.57) POLBKMT2ALMNAGLAGAA
SCHEMBL29756065 0.74 PDPK1 (0.57) POLBKMT2ALMNAGLAGAA

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
WO-2022083657-A1 SUBSTITUTED BENZO OR PYRIDOPYRIMIDINE AMINE INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2022-04-28 WO disclosed