SCHEMBL5325968

SCHEMBL5325968

Cc1nc2ncnn2c(N[C@@H](C)C(F)(F)F)c1C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE2A O00408 9/20 0.37
TSHR P16473 1/20 0.37
MBOAT4 Q96T53 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CREBBP Q92793 1/20 0.35
ENPP1 P22413 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5225793 0.88 PDE2A (0.35) PDE2AMBOAT4GAAHTTSMN1; SMN2
SCHEMBL5227823 0.88 PDE2A (0.35) PDE2AMBOAT4GAAHTTSMN1; SMN2
SCHEMBL5227104 0.88 PDE2A (0.35) PDE2AMBOAT4GAAHTTSMN1; SMN2
SCHEMBL5232222 0.87 PDE2A (0.35) PDE2AMBOAT4GAAHTTSMN1; SMN2
SCHEMBL5232313 0.87 PDE2A (0.35) PDE2AMBOAT4GAAHTTSMN1; SMN2
SCHEMBL5228395 0.77 PDE2A (0.36) MEN1KMT2APDE2A
SCHEMBL5227148 0.77 PDE2A (0.36) MEN1KMT2APDE2A
SCHEMBL8390403 0.75 ALDH1A1 (0.38) MEN1KMT2ATSHRALDH1A1ENPP1
SCHEMBL4014836 0.73 PDE2A (0.39) MEN1KMT2APDE2AALDH1A1
SCHEMBL974956 0.73 MAPK1 (0.41) MEN1KMT2ATSHRGAAHTT

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-2007113136-A1 USE OF SUBSTITUTED TRIAZOLOPYRIMIDINES FOR CONTROLLING PHYTOPATHOGENIC HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-10-11 WO disclosed