SCHEMBL19669734

SCHEMBL19669734

CCN1CC[C@@H](C)N(C(=O)Nc2ccc3nn(C)cc3c2)c2nc(-c3ccnc(C)c3)ccc21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAT2A P31153 3/20 0.40
▸ NOTUM Q6P988 1/20 0.38
▸ MLLT1 Q03111 2/20 0.38
▸ MAOA P21397 3/20 0.36
▸ MAOB P27338 3/20 0.36
▸ F10 P00742 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ IRAK4 Q9NWZ3 4/20 0.34
▸ WNT3A P56704 2/20 0.34
▸ CCNT1 O60563 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL19670158 0.91 NOTUM (0.38) MAT2ANOTUMMLLT1MAOAMAOB
SCHEMBL19670512 0.87 BTK (0.37) WNT3ADYRK1A
SCHEMBL19670571 0.86 NOTUM (0.39) MAT2ANOTUMMLLT1MAOAMAOB
SCHEMBL16238356 0.83 NOTUM (0.38) MAT2ANOTUMMAOAMAOBF10
SCHEMBL19865050 0.82 HTR2C (0.40) WNT3A
SCHEMBL16754329 0.81 NOTUM (0.37) MAT2ANOTUMMLLT1MAOAMAOB
SCHEMBL19669970 0.79 PIK3CA (0.36) WNT3AHTT
SCHEMBL19670405 0.79 BRAF (0.40) WNT3ADYRK1A
SCHEMBL19670135 0.79 MEN1 (0.41) MAOAMAOBKDM4EHTT
SCHEMBL16776212 0.74 NOTUM (0.39) MAT2ANOTUMMLLT1MAOAMAOB

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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