SCHEMBL4464801

SCHEMBL4464801

Cc1cc(-c2cnc(N)nc2N)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.42
FGFR1 P11362 4/20 0.41
SRC P12931 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL4469628 0.78 ADORA2A (0.41) DHFRADORA1
SCHEMBL30782745 0.76 HRH4 (0.40) DHFRADORA1
SCHEMBL29315437 0.74 ADORA1 (0.49) FGFR1ADORA1
SCHEMBL30065933 0.73 NPC1 (0.50) DHFRFGFR1SRC
SCHEMBL3663141 0.73 NPC1 (0.50) DHFRFGFR1SRC
SCHEMBL14829440 0.72 KMT2A (0.43) FGFR1
SCHEMBL15661004 0.70 GAA (0.45)
SCHEMBL3933807 0.69 CSF1R (0.50) DHFRFGFR1
SCHEMBL15374805 0.69 SMN1; SMN2 (0.37)
SCHEMBL15740449 0.68 DHFR (0.43) DHFRFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed