SCHEMBL7083318

SCHEMBL7083318

Cc1cc(C)n2c([NH])c(C3CCCCC3)nc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
NR1I2 O75469 1/20 0.35
KDM4B O94953 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
DOHH Q9BU89 1/20 0.35
KMT2A Q03164 1/20 0.34
NPY5R Q15761 2/20 0.33
CREBBP Q92793 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.31

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
SCHEMBL5166137 0.77 ALDH1A1 (0.49) KDM4ERAB9AALDH1A1LMNATSHR
SCHEMBL6651475 0.76 CREBBP (0.40) PSMB5KDM4ENR1I2KDM4BCHRM1
SCHEMBL5167594 0.73 ATM (0.37) KDM4ENPC1RAB9AKMT2ACREBBP
SCHEMBL5169227 0.72 CREBBP (0.56) KDM4EKMT2ACREBBPALDH1A1LMNA
SCHEMBL5168426 0.71 KMT2A (0.34) KDM4ENR1I2KDM4BCHRM1TBXA2R
SCHEMBL6754103 0.70 KMT2A (0.39) KDM4ENPC1RAB9ANR1I2KDM4B
SCHEMBL5167260 0.69 CREBBP (0.32) CREBBPALDH1A1LMNATSHR
SCHEMBL5169560 0.68 ALDH1A1 (0.61) KDM4ERAB9AKMT2AALDH1A1LMNA
SCHEMBL5166144 0.65 ADORA1 (0.57) KDM4EALDH1A1LMNAALOX5
SCHEMBL1965490 0.64 ALDH1A1 (0.65) KDM4ERAB9AKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO claimed
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP disclosed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO disclosed