SCHEMBL7846516

SCHEMBL7846516

Nc1cc(-c2cccc(Cl)c2)nc2ccnn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.51
EGLN2 Q96KS0 1/20 0.43
KCNN3 Q9UGI6 1/20 0.43
CDK2 P24941 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAP4K4 O95819 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
PDE10A Q9Y233 1/20 0.41
NOTUM Q6P988 1/20 0.40
CHEK1 O14757 1/20 0.40
CCNA2 P20248 1/20 0.40

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
SCHEMBL7845288 0.84 KDM4E (0.48) CDK2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL5452156 0.83 ALDH1A1 (0.56) RAD52CDK2KDM4EMEN1ALDH1A1
SCHEMBL7847041 0.83 S100A4 (0.56) RAD52KCNN3CDK2KDM4EMEN1
SCHEMBL5456702 0.80 CCNT1 (0.58) EGLN2KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL7846659 0.75 HSP90AA1 (0.49) EGLN2KCNN3CDK2SMN1; SMN2NPC1
SCHEMBL7846570 0.75 ALDH1A1 (0.68) CDK2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL7849116 0.75 ALDH1A1 (0.51) RAD52CDK2KDM4EMEN1ALDH1A1
SCHEMBL19784 0.74 CDK2 (0.51) RAD52CDK2KDM4EMEN1ALDH1A1
SCHEMBL5460449 0.74 CHEK1 (0.42) CDK2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL30974 0.73 PDE10A (0.67) KCNN3CDK2PDE10ACHEK1CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP disclosed