SCHEMBL8388586

SCHEMBL8388586

Nc1nc(N)c2c(Cl)c(-c3cc(Cl)ccc3O)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.45
KDM4E B2RXH2 2/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
CASP3 P42574 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
NFKB1 P19838 1/20 0.45
CDK5 Q00535 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
CDK5R1 Q15078 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
AGPAT2 O15120 1/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL8386113 0.80 DHFR (0.51) KDM4EAGPAT2ALDH1A1DHFRSLC2A1
SCHEMBL9054022 0.78 HSP90AA1 (0.53) HSP90AA1DHFRSLC2A1DCPS
SCHEMBL8389944 0.77 SLC2A1 (0.44) DHFRSLC2A1DCPS
SCHEMBL8389945 0.71 DCPS (0.47) KMT2ADHFRSLC2A1DCPS
SCHEMBL30268652 0.71 TYMS (0.55) DHFRSLC2A1PIK3CGDCPS
SCHEMBL2489752 0.71 NPC1 (0.68) CDK9KDM4ENPC1LMNACASP3
SCHEMBL1611666 0.70 SLC2A1 (0.51) DHFRSLC2A1DCPS
SCHEMBL31093991 0.69 HSD17B10 (0.62) LMNASMN1; SMN2MEN1ALDH1A1HSP90AA1
SCHEMBL6242615 0.69 HSD17B10 (0.62) LMNASMN1; SMN2MEN1ALDH1A1HSP90AA1
SCHEMBL8390658 0.67 SLC2A1 (0.49) DHFRSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874579-A Insecticidal substituted-2.4-diaminoquinazolines related applications FMC CORPORATION (US) 1999-02-23 US disclosed
US-5616718-A USEFUL FOR MAKING 2,4-DIAMINOQUINAZOLINES; INSECTICIDES FMC CORPORATION (US) 1997-04-01 US disclosed
US-5534518-A Insecticidal substituted-2,4-diaminoquinazolines FMC CORPORATION (US) 1996-07-09 US disclosed
EP-0684824-A4 INSECTICIDAL SUBSTITUTED-2,4-DIAMINOQUINAZOLINES. FMC CORP (US) 1996-02-14 EP disclosed
EP-0684824-A1 INSECTICIDAL SUBSTITUTED-2,4-DIAMINOQUINAZOLINES FMC CORPORATION (US) 1995-12-06 EP disclosed
WO-1994018980-A1 INSECTICIDAL SUBSTITUTED-2,4-DIAMINOQUINAZOLINES FMC CORPORATION (US) 1994-09-01 WO disclosed