SCHEMBL30643226

SCHEMBL30643226

O=C(Nc1ccccn1)c1cc(F)cc(F)c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.70
NPC1 O15118 8/20 0.70
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
GRM5 P41594 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
TP53 P04637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
F2 P00734 1/20 0.56
PKM P14618 4/20 0.56
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL30362429 0.88 MEN1 (0.72) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL23309590 0.86 RAB9A (0.68) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4582098 0.85 RAB9A (0.83) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL28326205 0.83 NPC1 (0.58) RAB9ANPC1MEN1KMT2AGRM5
SCHEMBL6918543 0.81 GRM5 (0.73) GRM5
SCHEMBL29366822 0.81 RAB9A (0.89) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL997866 0.81 RAB9A (0.89) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7189774 0.80 RAB9A (0.86) RAB9ANPC1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL27681799 0.80 RAB9A (0.86) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9377415 0.79 NPC1 (0.68) RAB9ANPC1MEN1KMT2AGRM5

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-4006035-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2023-11-22 EP claimed