SCHEMBL7545158

SCHEMBL7545158

O=C(Cn1cnc(-c2n[nH]c3c2Cc2ccccc2-3)c1)Nc1ccccc1.O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2n[nH]c3c2Cc2ccccc2-3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 9/20 0.40
KDR P35968 3/20 0.40
ACHE P22303 1/20 0.40
BACE1 P56817 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
MITF O75030 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
AURKA O14965 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6999716 0.86 CHEK1 (0.53) CHEK1KDRMEN1KMT2ANPC1
SCHEMBL7703594 0.86 CHEK1 (0.53) CHEK1KDRMEN1KMT2ANPC1
SCHEMBL7001361 0.85 KDR (0.47) CHEK1KDRMEN1KMT2A
Hydrochloric Acid SCHEMBL6999499 0.84 KDR (0.46) CHEK1KDRKMT2A
SCHEMBL7167280 0.79 MEN1 (0.48) CHEK1KDRMEN1KMT2ANPC1
SCHEMBL6994408 0.79 KDR (0.64) CHEK1KDRNPC1AURKA
SCHEMBL7701674 0.78 MEN1 (0.55) CHEK1KDRMEN1KMT2ANPC1
SCHEMBL7094928 0.77 KDR (0.64) CHEK1KDRMEN1KMT2ANPC1
Water SCHEMBL7089950 0.76 KDR (0.63) CHEK1KDRMEN1KMT2ANPC1
SCHEMBL7000839 0.74 KDR (0.68) CHEK1KDRACHENPC1MAPT

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-1165544-A1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
WO-2000059901-A1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2000-10-12 WO disclosed