SCHEMBL31205892

SCHEMBL31205892

Cc1nccn1-c1cc(Cl)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2E1 P05181 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ PSEN1 P49768 1/20 0.36
▸ PSEN2 P49810 1/20 0.36
▸ APH1B Q8WW43 1/20 0.36
▸ NCSTN Q92542 1/20 0.36
▸ APH1A Q96BI3 1/20 0.36
▸ PSENEN Q9NZ42 1/20 0.36
▸ TUBB4A P04350 2/20 0.35
▸ TUBB P07437 2/20 0.35
▸ TUBA3C P0DPH7 2/20 0.35
▸ TUBA1B P68363 2/20 0.35
▸ TUBA4A P68366 2/20 0.35
▸ TUBB4B P68371 2/20 0.35
▸ TUBB3 Q13509 2/20 0.35
▸ TUBB2A Q13885 2/20 0.35
▸ TUBB8 Q3ZCM7 2/20 0.35

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
SCHEMBL3233283 0.81 KDR (0.39) KDROGA
SCHEMBL20813390 0.79 KDR (0.39) KDRCYP3A4CYP2E1CYP2A6ALDH1A1
SCHEMBL25673701 0.76 CYP3A4 (0.40) KDRCYP3A4CYP2E1CYP2A6ALDH1A1
SCHEMBL24067431 0.76 LMNA (0.39) KDRCYP3A4CYP2E1CYP2A6ALDH1A1
SCHEMBL8499852 0.75 KDR (0.46) KDRCYP3A4CYP2E1CYP2A6ALDH1A1
SCHEMBL13472431 0.73 KMO (0.47) KDRCYP3A4CYP2E1CYP2A6ALDH1A1
SCHEMBL17459121 0.73 HCK (0.58) KDRLCKHCK
SCHEMBL15392867 0.71 CYP3A4 (0.50) KDRCYP3A4CYP2E1CYP2A6ALDH1A1
SCHEMBL11179382 0.71 ALDH1A1 (0.51) KDRCYP3A4CYP2E1CYP2A6ALDH1A1
SCHEMBL19130973 0.70 CSF1R (0.39) KDRCYP3A4ALDH1A1LCKL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709723-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2026-03-18 — — EP disclosed
WO-2024233544-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF GENZYME CORPORATION (US) 2024-11-14 — — WO disclosed
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