SCHEMBL19662985

SCHEMBL19662985

F[C@@H]1CN(c2cc3cccc(I)c3cn2)C[C@@H]1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 0.40
▸ HTR3A P46098 1/20 0.36
▸ MAP3K12 Q12852 1/20 0.34
▸ MAPT P10636 7/20 0.33
▸ PIM1 P11309 3/20 0.32
▸ PIM3 Q86V86 3/20 0.32
▸ PIM2 Q9P1W9 3/20 0.32
▸ LRRK2 Q5S007 4/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31

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
SCHEMBL19662814 0.83 CREBBP (0.44) CREBBPHTR3AMAP3K12PIM1PIM3
SCHEMBL23762061 0.81 HTR3A (0.45) CREBBPHTR3AMAPT
SCHEMBL21237335 0.80 CREBBP (0.40) CREBBPHTR3AMAP3K12PIM1PIM3
SCHEMBL23761963 0.77 HTR3A (0.64) HTR3A
SCHEMBL19662986 0.71 CREBBP (0.52) CREBBP
SCHEMBL18848482 0.69 NOS1 (0.38) —
SCHEMBL19662787 0.69 CREBBP (0.47) CREBBPHTR3APIM1PIM3PIM2
SCHEMBL29909738 0.66 PDPK1 (0.53) MAPT
SCHEMBL21237241 0.66 CREBBP (0.43) CREBBPHTR3APIM1PIM3PIM2
SCHEMBL21237648 0.64 CREBBP (0.46) CREBBPHTR3ALRRK2

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-2017205538-A1 PYRAZOLOPYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
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