SCHEMBL27807423

SCHEMBL27807423

CC[C@H](C=N)[C@@H](c1ccc(Cl)cc1)C(C(=O)C([C@H](c1ccc(Cl)cc1)[C@@H](C=N)CC)N1CCN(c2c(-c3ccccc3)cnc3[nH]nc(OC[C@@H](O)CO)c23)CC1)N1CCN(c2c(-c3ccccc3)cnc3[nH]nc(OC[C@@H](O)CO)c23)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.35
▸ TSHR P16473 1/20 0.32
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HTR7 P34969 1/20 0.30

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
SCHEMBL27807351 1.00 MAPK1 (0.35) MAPK1TSHRMAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL27807316 0.82 CHEK1 (0.39) TSHR
SCHEMBL27902769 0.81 MAPK1 (0.35) MAPK1MAPTLMNASMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL27821411 0.81 RPS6KA3 (0.37) TSHR
Hydrochloric Acid SCHEMBL27821429 0.81 RPS6KA3 (0.37) TSHR
SCHEMBL27827936 0.81 MAPK1 (0.37) MAPK1
Hydrochloric Acid SCHEMBL27807322 0.80 MAPK1 (0.36) MAPK1
SCHEMBL3665162 0.80 MAPK1 (0.35) MAPK1MAPTLMNASMN1; SMN2CYP2D6
SCHEMBL11961245 0.76 AKT1 (0.44) TSHRLMNA
SCHEMBL3730962 0.76 CCR1 (0.35) MAPK1TSHRSMN1; SMN2CYP2D6KMT2A

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
CN-101965347-A Pyrazolopyridines as kinase inhibitors ARRAY BIOPHARMA INC 2011-02-02 — — CN disclosed
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