SCHEMBL7487274

SCHEMBL7487274

O=c1[nH]cnc2nn(Cc3cccc(C(F)(F)F)c3)cc12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.45
GPR52 Q9Y2T5 2/20 0.44
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
ALK Q9UM73 1/20 0.43
TACR1 P25103 1/20 0.42
ABHD6 Q9BV23 1/20 0.42
MKNK1 Q9BUB5 2/20 0.41
MKNK2 Q9HBH9 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DAO P14920 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 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
SCHEMBL7515739 0.82 MKNK1 (0.43) GPR52ABHD6MKNK1MKNK2SMN1; SMN2
SCHEMBL7479263 0.81 MAPT (0.52) PARP1SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL30606479 0.78 KDR (0.42) GPR52CDC7DBF4ALKMKNK1
SCHEMBL7482908 0.77 PARP1 (0.47) PARP1CDC7DBF4MKNK1MKNK2
SCHEMBL7483064 0.76 PARP1 (0.48) PARP1ALKSMN1; SMN2MAPTKDM4E
SCHEMBL7478583 0.73 PARP1 (0.48) PARP1ALKSMN1; SMN2MAPTKDM4E
SCHEMBL27866609 0.72 ADORA2B (0.50) CDC7DBF4ALK
SCHEMBL7472669 0.72 PARP1 (0.43) PARP1ALKSMN1; SMN2MAPTKDM4E
SCHEMBL7478026 0.71 ADORA3 (0.45) DAOMAPTKDM4EALDH1A1
SCHEMBL7486328 0.71 KMT2A (0.44) PARP1ALKSMN1; SMN2DAOMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005471-B1 PYRAZOLO(3,4-D)PYRIMIDINES WITH ANTICONVULSIVE AND ANTIALLERGIC/ANTIASTHMATIC ACTION DRESDEN ARZNEIMITTEL (DE) 2002-09-04 EP claimed
EP-1005471-A1 PYRAZOLO(3,4-D)PYRIMIDINES WITH ANTICONVULSIVE AND ANTIALLERGIC/ANTIASTHMATIC ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-06-07 EP claimed
WO-1999067243-A1 PYRAZOLO(3,4-D)PYRIMIDINES WITH ANTICONVULSIVE AND ANTIALLERGIC/ANTIASTHMATIC ACTION ARZNEIMITTELWERK DRESDEN GMBH (DE) 1999-12-29 WO claimed
EP-1005471-B1 PYRAZOLO(3,4-D)PYRIMIDINES WITH ANTICONVULSIVE AND ANTIALLERGIC/ANTIASTHMATIC ACTION DRESDEN ARZNEIMITTEL (DE) 2002-09-04 EP disclosed
US-6054460-A Anticonvulsive and antiallergic/antiasthmatic pyrazolo-[3,4-d]pyrimidines, and process for preparing ARZNEIMITTELWERK DRESDEN GMBH (DE) 2000-04-25 US disclosed