SCHEMBL11261033

SCHEMBL11261033

O=C(CN1CCNCC1c1cccc(C(F)(F)F)c1)Nc1nc2cc3nc(NC(=O)CN4CCNCC4c4cccc(C(F)(F)F)c4)sc3cc2s1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 8/20 0.48
▸ RIPK1 Q13546 7/20 0.44
▸ RIPK3 Q9Y572 6/20 0.44
▸ ACP1 P24666 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL11270259 0.87 ALDH1A1 (0.43) KDM4E
SCHEMBL11269173 0.79 CLK1 (0.40) CSNK1DMAPT
SCHEMBL11254392 0.76 SMN1; SMN2 (0.43) CSNK1DMAPT
SCHEMBL11261037 0.75 MAPT (0.64) CSNK1DKDM4EMAPT
SCHEMBL11464906 0.72 HTR1A (0.47) MAPT
SCHEMBL10758926 0.72 HDAC1 (0.42) KDM4E
SCHEMBL11251039 0.71 CLK1 (0.57) KDM4EMAPT
SCHEMBL6031383 0.71 MITF (0.49) MAPT
SCHEMBL11383597 0.70 HTR1A (0.47) MAPT
SCHEMBL11252930 0.68 CLK1 (0.41) KDM4E

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-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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