SCHEMBL5167151

SCHEMBL5167151

Nc1ncnn2c(CN3CCOCC3)c(C(=O)NCC(F)(F)F)c(-c3ccc(N(C(=O)Nc4cc(C(F)(F)F)ccc4F)c4ccccc4)cc3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.57
FLT3 P36888 2/20 0.57
RET P07949 1/20 0.57
BCR P11274 1/20 0.57
FRK P42685 1/20 0.57
MAPK9 P45984 1/20 0.57
RPS6KA3 P51812 1/20 0.57
PRKCD Q05655 1/20 0.57
DDR1 Q08345 1/20 0.57
MAP4K2 Q12851 1/20 0.57
TNK1 Q13470 1/20 0.57
RPS6KA1 Q15418 1/20 0.57
MAP3K11 Q16584 1/20 0.57
DDR2 Q16832 1/20 0.57
RPS6KA6 Q9UK32 1/20 0.57
IKBKE Q14164 1/20 0.41
BTK Q06187 1/20 0.39
PDGFRB P09619 3/20 0.37
FLT1 P17948 3/20 0.37
KDR P35968 3/20 0.37

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
SCHEMBL276164 0.88 FLT3 (0.65) FGFR1FLT3RETBCRFRK
SCHEMBL327935 0.81 FLT3 (0.65) FGFR1FLT3RETBCRFRK
SCHEMBL276055 0.81 FLT3 (0.58) FGFR1FLT3RETBCRFRK
SCHEMBL275553 0.79 FLT3 (0.70) FGFR1FLT3RETBCRFRK
SCHEMBL277296 0.77 FLT3 (0.81) FGFR1FLT3RETBCRFRK
SCHEMBL275725 0.77 FLT3 (0.68) FGFR1FLT3RETBCRFRK
SCHEMBL275566 0.77 FLT3 (0.71) FGFR1FLT3RETBCRFRK
SCHEMBL275765 0.77 FLT3 (0.69) FGFR1FLT3RETBCRFRK
SCHEMBL276291 0.76 FLT3 (0.67) FGFR1FLT3RETBCRFRK
SCHEMBL276543 0.76 FLT3 (0.68) FGFR1FLT3RETBCRFRK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957077-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS Bayer HealthCare LLC (US) 2008-08-20 EP claimed
WO-2007064883-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC. (US) 2007-06-07 WO claimed