SCHEMBL1402380

SCHEMBL1402380

O=C(NCCN1CCNC1=O)c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.76
KMT2A Q03164 1/20 0.76
KDM4E B2RXH2 4/20 0.68
ALDH1A1 P00352 3/20 0.68
LMNA P02545 1/20 0.68
CREBBP Q92793 1/20 0.58
ENPP2 Q13822 1/20 0.54
HPGDS O60760 1/20 0.53
GAA P10253 1/20 0.51
GABRA5 P31644 1/20 0.51
HPGD P15428 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
POLR1A O95602 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RET P07949 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL31288020 0.92 RAB9A (0.64) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL18758193 0.88 KMT2A (0.67) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL13211934 0.86 KMT2A (1.00) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL11973926 0.86 RAB9A (0.76) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL14817956 0.86 KMT2A (0.76) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL10248313 0.85 RAB9A (0.60) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL367407 0.84 KMT2A (0.73) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL18740416 0.84 RAB9A (0.61) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL18740419 0.84 RAB9A (0.61) RAB9AKMT2AKDM4EALDH1A1LMNA
SCHEMBL18758129 0.83 KMT2A (0.60) RAB9AKMT2AKDM4EALDH1A1LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015193229-A1 BET-PROTEIN INHIBITING 1,4-DIHYDROPYRIDO[3,4-B]PYRAZINONES WITH META-SUBSTITUTED AROMATIC AMINO- OR ETHER GROUPS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-12-23 WO claimed
EP-2291359-A1 PHENYL OR PYRIDINYL SUBSTITUTED INDAZOLES DERIVATIVES AstraZeneca AB (SE) 2011-03-09 EP claimed
WO-2009142569-A1 PHENYL OR PYRIDINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2009-11-26 WO claimed
EP-2593437-B1 MOLECULES HAVING COMBINABLE GROUPS ARKEMA FRANCE (FR) 2017-09-06 EP disclosed
WO-2017144393-A1 2-SUBSTITUTED 5-(PHENYL)-1,2-DIHYDRO-3H-3-BENZAZEPINE-3-CARBOXAMIDE DERIVATIVES AS BRD4 INHIBITORS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-31 WO disclosed
EP-2291359-A1 PHENYL OR PYRIDINYL SUBSTITUTED INDAZOLES DERIVATIVES AstraZeneca AB (SE) 2011-03-09 EP disclosed
WO-2009142569-A1 PHENYL OR PYRIDINYL SUBSTITUTED INDAZOLES DERIVATIVES ASTRAZENECA AB (SE) 2009-11-26 WO disclosed