SCHEMBL28239389

SCHEMBL28239389

O=C(NCc1cc[c]cc1)c1cccc2cccnc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.60
NSD2 O96028 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
PARP1 P09874 1/20 0.49
MAPT P10636 2/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
MAPK8 P45983 1/20 0.47
ATM Q13315 1/20 0.47
PREP P48147 1/20 0.47
EGFR P00533 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL6983554 0.88 EGLN1 (0.76) EGLN1NSD2NPC1RAB9AKMT2A
SCHEMBL15447128 0.82 EGLN1 (0.57) EGLN1NSD2NPC1RAB9AKMT2A
SCHEMBL12186787 0.82 HDAC6 (0.68) EGLN1
SCHEMBL29617730 0.82 EGLN1 (0.57) EGLN1NSD2NPC1RAB9AKMT2A
SCHEMBL18641961 0.82 EGLN1 (0.57) EGLN1NSD2NPC1RAB9AKMT2A
SCHEMBL28870593 0.79 HDAC2 (0.66) NSD2KMT2AHPGD
SCHEMBL4969813 0.78 ALDH1A1 (0.64) EGLN1NPC1RAB9AKMT2AMEN1
SCHEMBL28239376 0.78 HPGD (0.63) KMT2AMEN1MAPTMAPK8HPGD
Hydrochloric Acid SCHEMBL4062177 0.76 PARP1 (0.59) EGLN1NPC1RAB9AKMT2AMEN1
SCHEMBL7382937 0.76 EGLN1 (0.74) EGLN1NPC1RAB9AKMT2AMEN1

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
CN-108431007-A PYRAZOLOPYRIMIDINE DERIVATIVES AS BTK INHIBITORS FOR THE TREATMENT OF CANCER 洛克索肿瘤学股份有限公司 2018-08-21 CN disclosed