SCHEMBL21568318

SCHEMBL21568318

Cc1ccc2nc(NC(=O)Nc3ccc(C)c(C#N)c3)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.57
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ MAPT P10636 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ NPC1 O15118 6/20 0.51
▸ RAB9A P51151 6/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ TP53 P04637 3/20 0.51
▸ DYRK1B Q9Y463 1/20 0.51
▸ ACP1 P24666 1/20 0.51
▸ HSD17B10 Q99714 3/20 0.51
▸ LCK P06239 1/20 0.50
▸ KDR P35968 1/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ HPGD P15428 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.49

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
SCHEMBL21568161 0.89 KDM4E (0.57) DYRK1AMEN1KMT2AMAPTLMNA
SCHEMBL26034949 0.86 DYRK1A (0.61) DYRK1AMEN1KMT2AMAPTLMNA
SCHEMBL21568324 0.83 DYRK1A (0.58) DYRK1AMEN1KMT2AMAPTLMNA
SCHEMBL21568130 0.82 DYRK1A (0.65) DYRK1AMEN1KMT2AMAPTLMNA
SCHEMBL23256895 0.82 DYRK1A (0.68) DYRK1AMEN1KMT2AMAPTLMNA
SCHEMBL21568083 0.82 KDM4E (0.56) DYRK1AMEN1KMT2AMAPTLMNA
SCHEMBL27093077 0.81 DYRK1A (0.67) DYRK1AMEN1KMT2AMAPTLMNA
SCHEMBL21568266 0.80 NPC1 (0.56) DYRK1AMEN1KMT2AMAPTPOLB
SCHEMBL21569108 0.80 KDM4E (0.56) DYRK1AMEN1KMT2AMAPTLMNA
SCHEMBL4124786 0.80 DYRK1A (0.74) DYRK1AMEN1KMT2AMAPTLMNA

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-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 — — WO disclosed
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