SCHEMBL14647353

SCHEMBL14647353

Nc1nccn2c(C3CCCCC3)nc(Br)c12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 14/20 0.55
FGFR2 P21802 1/20 0.53
IGF1R P08069 4/20 0.51
FGFR1 P11362 1/20 0.49

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
SCHEMBL14630606 0.99 FGFR2 (0.54) TNK2FGFR2IGF1RFGFR1
SCHEMBL396723 0.96 FGFR2 (0.57) TNK2FGFR2IGF1RFGFR1
SCHEMBL16748879 0.93 TNK2 (0.52) TNK2FGFR2IGF1RFGFR1
SCHEMBL14630876 0.86 TNK2 (0.56) TNK2FGFR2IGF1R
SCHEMBL14630052 0.86 BTK (0.49) TNK2FGFR2IGF1R
SCHEMBL14630053 0.86 BTK (0.49) TNK2FGFR2IGF1R
SCHEMBL16748847 0.86 TNK2 (0.56) TNK2FGFR2IGF1RFGFR1
SCHEMBL22236165 0.84 IGF1R (0.48) TNK2FGFR2IGF1RFGFR1
SCHEMBL14637195 0.84 FGFR2 (0.45) TNK2FGFR2IGF1RFGFR1
SCHEMBL14637193 0.84 FGFR2 (0.45) TNK2FGFR2IGF1RFGFR1

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
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 EP disclosed