SCHEMBL21637222

SCHEMBL21637222

N#C/N=C(\NCc1cccc(O)c1)c1cnc2ccc(N3CCCC3)nn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK3 O43781 2/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ DYRK1A Q13627 2/20 0.35
▸ DYRK2 Q92630 2/20 0.35
▸ DYRK1B Q9Y463 2/20 0.35
▸ PIM1 P11309 2/20 0.35
▸ MAPT P10636 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ APAF1 O14727 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PPP1CA P62136 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ FYN P06241 1/20 0.33
▸ NTRK1 P04629 5/20 0.33
▸ NTRK3 Q16288 3/20 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
SCHEMBL26547601 0.83 NTRK1 (0.43) MAPTTHRBRXFP1TP53NTRK1
SCHEMBL21625434 0.78 NTRK1 (0.46) NTRK1NTRK3NTRK2
SCHEMBL21625429 0.78 NTRK1 (0.46) NTRK1NTRK3NTRK2
SCHEMBL21625427 0.78 NTRK1 (0.46) NTRK1NTRK3NTRK2
SCHEMBL21625432 0.78 NTRK1 (0.46) NTRK1NTRK3NTRK2
SCHEMBL21637223 0.73 HTT (0.40) DYRK3CCNT1CDK9DYRK1ADYRK2
SCHEMBL21765934 0.71 NTRK1 (0.46) PIM1NTRK1IRAK4ALDH1A1MAPK1
SCHEMBL23694107 0.70 IRAK4 (0.39) DYRK3CCNT1CDK9DYRK1ADYRK2
SCHEMBL21637225 0.70 RXFP1 (0.39) PIM1MAPTRXFP1TP53NTRK1
SCHEMBL21637243 0.64 HTT (0.47) DYRK3CCNT1CDK9DYRK1ADYRK2

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-2020016594-A1 IMIDAZO[1,2-B]PYRIDAZINE DERIVATIVES AS TRK INHIBITORS BENEVOLENTAI BIO LIMITED (GB) 2020-01-23 — — WO disclosed
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