SCHEMBL8308306

SCHEMBL8308306

CC(C)(C)n1nc(-c2ccccc2)c(C(N)=O)c1N

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 11/20 0.74
SRC P12931 5/20 0.72
KDR P35968 2/20 0.58
LCK P06239 1/20 0.58
TGFBR1 P36897 1/20 0.58
KCNH2 Q12809 2/20 0.55
POLB P06746 1/20 0.52
BRAF P15056 1/20 0.52
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL4261283 0.88 RIPK2 (0.70) RIPK2SRCKDRLCKTGFBR1
SCHEMBL4265907 0.88 RIPK2 (0.61) RIPK2SRCKDRLCKTGFBR1
SCHEMBL5618684 0.87 RIPK2 (0.68) RIPK2SRCKDRLCKTGFBR1
SCHEMBL8357880 0.87 RIPK2 (0.72) RIPK2SRCKDRLCKTGFBR1
SCHEMBL6646290 0.86 RIPK2 (0.67) RIPK2SRCKDRLCKTGFBR1
SCHEMBL8356091 0.86 RIPK2 (0.74) RIPK2SRCKDRLCKTGFBR1
SCHEMBL14811525 0.85 RIPK2 (0.55) RIPK2SRCKDRLCKTGFBR1
SCHEMBL24410875 0.84 RIPK2 (0.61) RIPK2SRCKDRLCKTGFBR1
SCHEMBL16247045 0.84 RIPK2 (1.00) RIPK2SRCKDRLCKTGFBR1
SCHEMBL8362338 0.83 RIPK2 (0.64) RIPK2SRCKDRLCKTGFBR1

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
US-5922741-A 5-aminopyrazoles useful as tyrosine kinase inhibitors CELLTECH THERAPEUTICS LTD. (GB) 1999-07-13 US disclosed
EP-0906286-A1 5-AMINOPYRAZOLES USEFUL AS SELECTIVE INHIBITORS OF THE PROTEIN TYROSINE KINASE P56ICK CELLTECH THERAPEUTICS LIMITED (GB) 1999-04-07 EP disclosed
WO-1997040019-A1 5-AMINOPYRAZOLES USEFUL AS SELECTIVE INHIBITORS OF THE PROTEIN TYROSINE KINASE P56ICK CELLTECH THERAPEUTICS LIMITED (GB) 1997-10-30 WO disclosed